CID 155894016

6-oxo-5-azaspiro[3.4]octane-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC2(CC(C2)C(=O)O)NC1=O
InChI
InChI=1S/C8H11NO3/c10-6-1-2-8(9-6)3-5(4-8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
CFNNIVQLDNMREA-UHFFFAOYSA-N
Compound name
6-oxo-5-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

169.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 134.3
[M+Na]+ 192.063118 139.6
[M-H]- 168.066624 136.0
[M+NH4]+ 187.107723 149.3
[M+K]+ 208.037058 140.3
[M+H-H2O]+ 152.071160 125.0
[M+HCOO]- 214.072101 150.9
[M+CH3COO]- 228.087751 174.7
[M+Na-2H]- 190.048566 137.1
[M]+ 169.07335142 138.0
[M]- 169.07444858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe